SCHEMBL18934271

SCHEMBL18934271

CCC(CN(C)C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 4/20 0.37
ATM Q13315 3/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
PAX8 Q06710 1/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP2D6 P10635 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodomethane SCHEMBL16760124 0.95 TSHR (0.43) TSHRUSP2HTTATMRAB9A
SCHEMBL16606872 0.81 HDAC8 (0.52) TSHRUSP2HTTATMRAB9A
SCHEMBL5892318 0.80 MAPK1 (0.48) TSHRUSP2HTTATMRAB9A
SCHEMBL16773752 0.78 CA2 (0.50) TSHRUSP2HTTATMRAB9A
SCHEMBL541995 0.78
SCHEMBL13575682 0.78 TSHR (0.56) TSHRUSP2HTTATMRAB9A
SCHEMBL25192077 0.76 HTT (0.35) HTTATMRAB9AMAPK1NPC1
SCHEMBL234393 0.76 KISS1R (0.46) HTTATMRAB9AMAPK1NPC1
Hydrochloric Acid SCHEMBL11428035 0.75
SCHEMBL16599500 0.75 NPC1 (0.34) HTTATMRAB9AMAPK1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374045-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND RELATED INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. 2023-11-23 US disclosed
US-20170157112-A1 HIF INHIBITORS UCL BUSINESS PLC (GB) 2017-06-08 US disclosed
US-20160340389-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH BIOTHERAPEUTICS INC. 2016-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160340389-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES ADM2, VIP, ANPEP TSHR 946/4885USP2 4010/4885HTT 100/4885
US-20170157112-A1 HIF INHIBITORS HIF1AN, HIF1A, EGLN3 TSHR 3096/4885USP2 777/4885HTT 896/4885
US-20230374045-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND RELATED INSULIN ANALOGS IAPP, GPR119, INSR TSHR 322/4885USP2 4141/4885HTT 1004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.